2-amino-4-ethyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide

C14H13F3N4OS — CID 110511394

IUPAC2-amino-4-ethyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(N)sc1C(=O)N/N=C\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3N4OS/c1-2-10-11(23-13(18)20-10)12(22)21-19-7-8-3-5-9(6-4-8)14(15,16)17/h3-7H,2H2,1H3,(H2,18,20)(H,21,22)/b19-7-
InChIKeyHXBNOZSCWKUGCO-GXHLCREISA-N
MW342.35 g/mol
LogP3.07
Rot. Bonds4

About 2-amino-4-ethyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide

2-amino-4-ethyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide (PubChem CID 110511394) has the molecular formula C14H13F3N4OS and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-amino-4-ethyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-ethyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide
PubChem CID110511394
Molecular FormulaC14H13F3N4OS
Molecular Weight342.35 g/mol
Exact Mass342.08
IUPAC Name2-amino-4-ethyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(N)sc1C(=O)N/N=C\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3N4OS/c1-2-10-11(23-13(18)20-10)12(22)21-19-7-8-3-5-9(6-4-8)14(15,16)17/h3-7H,2H2,1H3,(H2,18,20)(H,21,22)/b19-7-
InChIKeyHXBNOZSCWKUGCO-GXHLCREISA-N
XLogP3.07
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-methyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide
CID 5398429
2-amino-4-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazole-5-carboxamide
CID 110511354
2-amino-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 135716646
2-amino-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 136787353
2-amino-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 110511440
2-amino-N-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 110511360
2-amino-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 136787337
2-amino-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 136702168
N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide
CID 174961803
2-amino-N-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 110511422
6-methyl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 127041977
1-amino-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]urea
CID 131985079

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-ethyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide (CID 110511394) is 2-amino-4-ethyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-ethyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-ethyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide is CCc1nc(N)sc1C(=O)N/N=C\c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-amino-4-ethyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide?
The InChIKey is HXBNOZSCWKUGCO-GXHLCREISA-N. The full InChI is InChI=1S/C14H13F3N4OS/c1-2-10-11(23-13(18)20-10)12(22)21-19-7-8-3-5-9(6-4-8)14(15,16)17/h3-7H,2H2,1H3,(H2,18,20)(H,21,22)/b19-7-.
What are the key properties of 2-amino-4-ethyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide?
2-amino-4-ethyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide has a molecular weight of 342.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110511394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).